EINECS 231-684-0
TL;DR: EINECS 231-684-0 (CAS 7682-45-3) is a chemical compound with molecular formula C21H25F3N4O6 and molecular weight 486.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]imidazol-4-yl]propanoic acid
Also Known As: 1-(1-{[(benzyloxy)carbonyl]amino}-2,2,2-trifluoroethyl)-n-(tert-butoxycarbonyl)-l-histidine, 1-[1-[[(benzyloxy)carbonyl]amino]-2,2,2-trifluoroethyl]-N-(tert-butoxycarbonyl)-L-histidine, 1-(1-(((Benzyloxy)carbonyl)amino)-2,2,2-trifluoroethyl)-N-(tert-butoxycarbonyl)-L-histidine, Histidine, N-carboxy-1-(1-(carboxyamino)-2,2,2-trifluoroethyl)-, benzyl tert-butyl ester, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]imidazol-4-yl]propanoic acid
| Molecular Formula | C21H25F3N4O6 |
|---|---|
| Molecular Weight | 486.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 486.1726 |
| Heavy Atoms | 34 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 7682-45-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)C(C(F)(F)F)NC(=O)OCC2=CC=CC=C2)C(=O)O |
| InChIKey | MXBLBDHOSUWYDH-MYJWUSKBSA-N |
Product Overview
EINECS 231-684-0 (CAS 7682-45-3), with molecular formula C21H25F3N4O6 and molecular weight 486.17 g/mol. IUPAC: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]imidazol-4-yl]propanoic acid.
Chemical Property Profile of EINECS 231-684-0
Property Insights of EINECS 231-684-0
The XLogP value of 3.0 indicates that EINECS 231-684-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 231-684-0. Following Lipinski's Rule of Five, EINECS 231-684-0 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 231-684-0?
The CAS number of EINECS 231-684-0 is 7682-45-3.
What is the molecular formula of EINECS 231-684-0?
The molecular formula of EINECS 231-684-0 is C21H25F3N4O6.
What is the molecular weight of EINECS 231-684-0?
The molecular weight of EINECS 231-684-0 is 486.17 g/mol.
Where can I buy EINECS 231-684-0?
You can request a quote for EINECS 231-684-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 231-684-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 231-684-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.